Geometry & MOs

Info

ID:	349765
PubChem CID:	127276157
Reduced:	ClSN2O2C17H19 (1)
Stoich.:	ABC2D2E17F19 (1)
Weight, g/mol:	370.211724
ΔH_f, kcal/mol:	-61.23
Dipole, Da:	3.53
IP(EA), eV:	-9.11(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-piperidin-1-ylpiperidin-1-yl)-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)CNC(=O)C2CCCOC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations